1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine

C13H16FN3O — CID 103581790

IUPAC1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCCc1ncno1
InChIInChI=1S/C13H16FN3O/c1-10(8-11-2-4-12(14)5-3-11)15-7-6-13-16-9-17-18-13/h2-5,9-10,15H,6-8H2,1H3
InChIKeyWRIGRZBUEUMNPJ-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.97
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine

1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (PubChem CID 103581790) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
PubChem CID103581790
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCCc1ncno1
InChIInChI=1S/C13H16FN3O/c1-10(8-11-2-4-12(14)5-3-11)15-7-6-13-16-9-17-18-13/h2-5,9-10,15H,6-8H2,1H3
InChIKeyWRIGRZBUEUMNPJ-UHFFFAOYSA-N
XLogP1.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (CID 103581790) is 1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is CC(Cc1ccc(F)cc1)NCCc1ncno1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is WRIGRZBUEUMNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-10(8-11-2-4-12(14)5-3-11)15-7-6-13-16-9-17-18-13/h2-5,9-10,15H,6-8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 249.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 103581790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).